1-(12-amino-11-oxododecyl)pyrrole-2,5-dione

C16H26N2O3 — CID 58173871

IUPAC1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
SMILESNCC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H26N2O3/c17-13-14(19)9-7-5-3-1-2-4-6-8-12-18-15(20)10-11-16(18)21/h10-11H,1-9,12-13,17H2
InChIKeyRUIRYOMHIXYMEV-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.95
Rot. Bonds12

About 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione

1-(12-amino-11-oxododecyl)pyrrole-2,5-dione (PubChem CID 58173871) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
PubChem CID58173871
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
SMILESNCC(=O)CCCCCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H26N2O3/c17-13-14(19)9-7-5-3-1-2-4-6-8-12-18-15(20)10-11-16(18)21/h10-11H,1-9,12-13,17H2
InChIKeyRUIRYOMHIXYMEV-UHFFFAOYSA-N
XLogP1.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
CID 170745532
CID 170745532
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
4-[6-(2,5-dioxopyrrol-1-yl)hexanoyloxy]butyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 22084354
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(3-amino-2-oxopropyl)pyrrole-2,5-dione
CID 174707284

Frequently Asked Questions

What is the IUPAC name of 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione?
The IUPAC name of 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione (CID 58173871) is 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione is NCC(=O)CCCCCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione?
The InChIKey is RUIRYOMHIXYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c17-13-14(19)9-7-5-3-1-2-4-6-8-12-18-15(20)10-11-16(18)21/h10-11H,1-9,12-13,17H2.
What are the key properties of 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione?
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione has a molecular weight of 294.39 g/mol, XLogP of 1.95, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-amino-11-oxododecyl)pyrrole-2,5-dione is sourced from PubChem (CID 58173871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).